COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.451  -0.144  -1.037  1.00  0.00           C  
HETATM    2  C   UNL     1       6.900  -1.357   0.284  1.00  0.00           C  
HETATM    3  C   UNL     1       4.781  -0.970   1.108  1.00  0.00           C  
HETATM    4  C   UNL     1       2.157  -0.740  -0.267  1.00  0.00           C  
HETATM    5  C   UNL     1       0.799  -0.087  -0.535  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.754   1.459   0.349  1.00  0.00           C  
HETATM    7  N   UNL     1       6.642  -0.696  -0.835  1.00  0.00           N  
HETATM    8  C   UNL     1       2.909   1.279   0.837  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.892   2.839   0.253  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.262   2.597   0.007  1.00  0.00           C  
HETATM   11  N   UNL     1       8.155  -1.921   0.461  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.226  -1.043   0.124  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.321  -1.780   0.048  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.607   0.899  -0.151  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.336   0.346   0.026  1.00  0.00           C  
HETATM   16  N   UNL     1       5.993  -1.494   1.238  1.00  0.00           N  
HETATM   17  N   UNL     1       5.183   0.543  -2.213  1.00  0.00           N  
HETATM   18  C   UNL     1       4.468  -0.271  -0.047  1.00  0.00           C  
HETATM   19  N   UNL     1       3.196   0.298  -0.220  1.00  0.00           N  
HETATM   20  C   UNL     1       1.550   1.932   0.568  1.00  0.00           C  
HETATM   21  N   UNL     1       0.512   0.893   0.521  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.142   3.401   0.083  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.874   0.644   0.279  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.134   1.212   0.107  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.651   0.093  -0.228  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.507  -1.218  -0.125  1.00  0.00           C  
HETATM   27  O   UNL     1      -7.603  -2.009  -0.210  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.396  -3.419  -0.093  1.00  0.00           C  
HETATM   29  H   UNL     1       4.048  -1.088   1.892  1.00  0.00           H  
HETATM   30  H   UNL     1       2.125  -1.266   0.688  1.00  0.00           H  
HETATM   31  H   UNL     1       2.385  -1.447  -1.064  1.00  0.00           H  
HETATM   32  H   UNL     1       0.822   0.416  -1.502  1.00  0.00           H  
HETATM   33  H   UNL     1       0.023  -0.853  -0.542  1.00  0.00           H  
HETATM   34  H   UNL     1       2.886   0.776   1.803  1.00  0.00           H  
HETATM   35  H   UNL     1       3.686   2.043   0.844  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.019   3.473   0.312  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.238   3.040  -0.126  1.00  0.00           H  
HETATM   38  H   UNL     1       8.358  -2.407   1.276  1.00  0.00           H  
HETATM   39  H   UNL     1       8.830  -1.828  -0.229  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.261  -1.508   0.266  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.733   1.969  -0.231  1.00  0.00           H  
HETATM   42  H   UNL     1       4.310   0.940  -2.354  1.00  0.00           H  
HETATM   43  H   UNL     1       5.870   0.626  -2.893  1.00  0.00           H  
HETATM   44  H   UNL     1       1.322   2.638   1.366  1.00  0.00           H  
HETATM   45  H   UNL     1       1.582   2.458  -0.386  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.244   4.474   0.010  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.770  -0.428   0.356  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.353  -3.934  -0.179  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.730  -3.755  -0.887  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.949  -3.641   0.876  1.00  0.00           H  
CONECT    1   17   18   18    7                                       
CONECT    2    7    7   16   11                                       
CONECT    3   18   16   16   29                                       
CONECT    4   19    5   30   31                                       
CONECT    5   21    4   32   33                                       
CONECT    6    9   21   23   23                                       
CONECT    7    1    2    2                                            
CONECT    8   20   19   34   35                                       
CONECT    9   22   22    6   36                                       
CONECT   10   22   24   24   37                                       
CONECT   11    2   38   39                                            
CONECT   12   15   13   13   40                                       
CONECT   13   12   12   26                                            
CONECT   14   15   15   25   41                                       
CONECT   15   24   14   14   12                                       
CONECT   16    3    3    2                                            
CONECT   17    1   42   43                                            
CONECT   18   19    1    1    3                                       
CONECT   19    8   18    4                                            
CONECT   20    8   21   44   45                                       
CONECT   21   20    6    5                                            
CONECT   22    9    9   10   46                                       
CONECT   23    6    6   24   47                                       
CONECT   24   10   10   23   15                                       
CONECT   25   14   26   26                                            
CONECT   26   25   25   13   27                                       
CONECT   27   26   28                                                 
CONECT   28   27   48   49   50                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
